YEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O | C2 | sing | 1.34Å | 1.33Å | |
| C3 | O | sing | 1.45Å | 1.44Å | |
| O1 | C2 | doub | 1.21Å | 1.20Å | |
| C1 | N | sing | 1.47Å | 1.49Å | |
| N | S | sing | 1.66Å | 1.63Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| C4 | S | sing | 1.81Å | 1.75Å | |
| S | O3 | doub | 1.42Å | 1.43Å | |
| C5 | N | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| C7 | C6 | sing | 1.55Å | 1.53Å | |
| C1 | C7 | sing | 1.54Å | 1.54Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 114.3° | 109.8° |
| C | C1 | N | 113.6° | 109.9° |
| C | C1 | C7 | 111.4° | 109.9° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C2 | O | 112.0° | 120.0° |
| C1 | C2 | O1 | 123.9° | 120.0° |
| C2 | C1 | N | 100.9° | 109.9° |
| C2 | C1 | C7 | 114.9° | 110.0° |
| C2 | O | C3 | 115.4° | 117.0° |
| O | C2 | O1 | 124.0° | 120.0° |
| O | C3 | H3 | 109.5° | 109.5° |
| O | C3 | H4 | 109.5° | 109.4° |
| O | C3 | H5 | 109.4° | 109.5° |
| C1 | N | S | 130.5° | 125.7° |
| C1 | N | C5 | 108.6° | 108.7° |
| N | C1 | C7 | 100.5° | 107.3° |
| N | S | O2 | 107.5° | 104.3° |
| N | S | C4 | 106.6° | 104.4° |
| N | S | O3 | 106.7° | 104.3° |
| S | N | C5 | 120.8° | 125.6° |
| O2 | S | C4 | 108.7° | 110.5° |
| O2 | S | O3 | 118.1° | 121.0° |
| C4 | S | O3 | 108.6° | 110.5° |
| S | C4 | H7 | 109.5° | 109.5° |
| S | C4 | H8 | 109.5° | 109.5° |
| S | C4 | H6 | 109.4° | 109.5° |
| N | C5 | C6 | 104.4° | 104.8° |
| N | C5 | H10 | 110.7° | 110.4° |
| N | C5 | H9 | 110.8° | 110.4° |
| C5 | C6 | C7 | 106.6° | 101.6° |
| C6 | C5 | H10 | 110.7° | 110.3° |
| C6 | C5 | H9 | 110.7° | 110.4° |
| C5 | C6 | H12 | 110.2° | 111.1° |
| C5 | C6 | H11 | 110.2° | 111.0° |
| C6 | C7 | C1 | 104.5° | 102.9° |
| C7 | C6 | H12 | 110.2° | 111.0° |
| C7 | C6 | H11 | 110.2° | 111.0° |
| C6 | C7 | H13 | 110.7° | 110.7° |
| C6 | C7 | H14 | 110.7° | 110.8° |
| C1 | C7 | H13 | 110.7° | 110.7° |
| C1 | C7 | H14 | 110.7° | 110.9° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H6 | 109.5° | 109.5° |
| H8 | C4 | H6 | 109.5° | 109.4° |
| H10 | C5 | H9 | 109.5° | 110.3° |
| H12 | C6 | H11 | 109.5° | 110.9° |
| H13 | C7 | H14 | 109.5° | 110.6° |
| H | C | H1 | 109.5° | 109.5° |
| H | C | H2 | 109.4° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | N | 122.3° | 121.0° |
| C | C1 | C2 | C7 | 130.6° | 121.1° |
| C | C1 | C2 | O | 68.5° | 88.8° |
| C | C1 | C2 | O1 | 115.1° | 91.2° |
| C | C1 | N | C7 | 119.1° | 119.4° |
| C | C1 | N | S | 18.6° | 59.5° |
| C | C1 | N | C5 | 158.1° | 120.5° |
| C | C1 | C7 | C6 | 156.8° | 97.3° |
| C | C1 | C7 | H13 | 84.0° | 144.4° |
| C | C1 | C7 | H14 | 37.6° | 21.2° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | O | O1 | 176.3° | 180.0° |
| C1 | C2 | O | C3 | 168.9° | 180.0° |
| C2 | C1 | N | C7 | 118.1° | 119.6° |
| C2 | C1 | N | S | 104.1° | 61.5° |
| C2 | C1 | N | C5 | 79.2° | 118.5° |
| C2 | C1 | C7 | C6 | 71.3° | 141.7° |
| C2 | C1 | C7 | H13 | 48.0° | 23.3° |
| C2 | C1 | C7 | H14 | 169.5° | 99.8° |
| C2 | C1 | C | H | 180.0° | 61.0° |
| C2 | C1 | C | H1 | 60.0° | 59.0° |
| C2 | C1 | C | H2 | 60.0° | 179.0° |
| O | C2 | C1 | N | 53.8° | 32.2° |
| O | C2 | C1 | C7 | 160.9° | 150.2° |
| C2 | O | C3 | H3 | 180.0° | 60.0° |
| C2 | O | C3 | H4 | 60.0° | 60.0° |
| C2 | O | C3 | H5 | 60.0° | 180.0° |
| C3 | O | C2 | O1 | 7.5° | 0.0° |
| O | C3 | H3 | H4 | 120.0° | 120.0° |
| O | C3 | H3 | H5 | 120.0° | 120.0° |
| O | C3 | H4 | H5 | 120.0° | 120.0° |
| O1 | C2 | C1 | N | 122.6° | 147.8° |
| O1 | C2 | C1 | C7 | 15.5° | 29.8° |
| C1 | N | S | C5 | 176.4° | 180.0° |
| C1 | N | S | O2 | 41.4° | 8.7° |
| C1 | N | S | C4 | 157.8° | 107.3° |
| C1 | N | S | O3 | 86.3° | 136.6° |
| C1 | N | C5 | C6 | 26.0° | 24.1° |
| N | C1 | C7 | C6 | 36.1° | 22.2° |
| C1 | N | C5 | H10 | 93.1° | 143.0° |
| C1 | N | C5 | H9 | 145.2° | 94.8° |
| N | C1 | C7 | H13 | 155.3° | 96.2° |
| N | C1 | C7 | H14 | 83.1° | 140.7° |
| N | C1 | C | H | 64.9° | 60.0° |
| N | C1 | C | H1 | 55.1° | 180.0° |
| N | C1 | C | H2 | 175.1° | 60.0° |
| N | S | O2 | C4 | 115.1° | 111.7° |
| N | S | O2 | O3 | 120.7° | 116.8° |
| N | S | C4 | O3 | 114.6° | 111.7° |
| S | N | C5 | C6 | 151.1° | 155.9° |
| S | N | C1 | C7 | 137.7° | 178.9° |
| N | S | C4 | H7 | 180.0° | 55.1° |
| N | S | C4 | H8 | 60.0° | 175.1° |
| N | S | C4 | H6 | 60.0° | 64.9° |
| S | N | C5 | H10 | 89.8° | 37.0° |
| S | N | C5 | H9 | 31.9° | 85.2° |
| O2 | S | C4 | O3 | 129.7° | 136.7° |
| O2 | S | N | C5 | 142.3° | 171.3° |
| O2 | S | C4 | H7 | 64.3° | 166.7° |
| O2 | S | C4 | H8 | 175.7° | 73.3° |
| O2 | S | C4 | H6 | 55.7° | 46.7° |
| C4 | S | N | C5 | 25.8° | 72.7° |
| S | C4 | H7 | H8 | 120.0° | 120.0° |
| S | C4 | H7 | H6 | 120.0° | 120.0° |
| S | C4 | H8 | H6 | 119.9° | 120.0° |
| O3 | S | N | C5 | 90.1° | 43.4° |
| O3 | S | C4 | H7 | 65.4° | 56.6° |
| O3 | S | C4 | H8 | 54.6° | 63.4° |
| O3 | S | C4 | H6 | 174.6° | 176.6° |
| N | C5 | C6 | H10 | 119.2° | 118.9° |
| N | C5 | C6 | H9 | 119.2° | 118.9° |
| N | C5 | C6 | C7 | 1.7° | 37.0° |
| C5 | N | C1 | C7 | 39.0° | 1.1° |
| N | C5 | H10 | H9 | 122.4° | 122.3° |
| N | C5 | C6 | H12 | 121.3° | 155.1° |
| N | C5 | C6 | H11 | 117.8° | 81.1° |
| C5 | C6 | C7 | H12 | 119.6° | 118.1° |
| C5 | C6 | C7 | H11 | 119.5° | 118.0° |
| C5 | C6 | C7 | C1 | 21.7° | 35.5° |
| C6 | C5 | H10 | H9 | 122.3° | 122.2° |
| C5 | C6 | H12 | H11 | 121.3° | 123.9° |
| C5 | C6 | C7 | H13 | 140.9° | 82.9° |
| C5 | C6 | C7 | H14 | 97.5° | 154.0° |
| C6 | C7 | C1 | H13 | 119.2° | 118.4° |
| C6 | C7 | C1 | H14 | 119.2° | 118.5° |
| C7 | C6 | C5 | H10 | 117.4° | 155.9° |
| C7 | C6 | C5 | H9 | 121.0° | 81.9° |
| C7 | C6 | H12 | H11 | 121.3° | 123.9° |
| C6 | C7 | H13 | H14 | 122.3° | 123.2° |
| C1 | C7 | C6 | H12 | 97.9° | 153.6° |
| C1 | C7 | C6 | H11 | 141.2° | 82.6° |
| C1 | C7 | H13 | H14 | 122.3° | 123.3° |
| C7 | C1 | C | H | 47.7° | 177.8° |
| C7 | C1 | C | H1 | 167.8° | 62.2° |
| C7 | C1 | C | H2 | 72.2° | 57.8° |
| H7 | C4 | H8 | H6 | 120.0° | 120.0° |
| H10 | C5 | C6 | H12 | 2.1° | 86.0° |
| H10 | C5 | C6 | H11 | 123.0° | 37.8° |
| H9 | C5 | C6 | H12 | 119.5° | 36.2° |
| H9 | C5 | C6 | H11 | 1.4° | 160.0° |
| H12 | C6 | C7 | H13 | 21.3° | 35.2° |
| H12 | C6 | C7 | H14 | 142.9° | 87.8° |
| H11 | C6 | C7 | H13 | 99.6° | 159.1° |
| H11 | C6 | C7 | H14 | 22.1° | 36.0° |
| H | C | H1 | H2 | 120.0° | 120.0° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
